Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL258936

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cn([C@H]2CO[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258936
Phase Preclinical
Structure Type MOL
InChI Key VOEUYEUXKLNMON-RNFRBKRXSA-N
2
Targets
43
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.1
MW (Da)
-0.94
ALogP
11
HBA
5
HBD
233.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N2O14P3
MW 468.14
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.84

Activity Summary

IC50 38 meas. best 7.1
Ki 5 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.74 8.074 1.8 5
Unchecked
CHEMBL612545
 IC50 7.1 6.2615 80.0 34
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 7.0 6.8 100.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1.8 nM 8.74 Inhibition of HIV1 reverse transcriptase wild type HXB2(b) in presence of 3.2 mM... 17403997
Unchecked Ki = 2.8 nM 8.55 Inhibition of HIV1 reverse transcriptase wild type HXB2(a) in presence of 3.2 mM... 17403997
Unchecked Ki = 11.0 nM 7.96 Inhibition of HIV1 reverse transcriptase 41L/67N/70R/215Y/219Q mutant in presenc... 17403997
Unchecked Ki = 13.0 nM 7.89 Inhibition of HIV1 reverse transcriptase 41L/67N/70R/210W/215Y mutant in presenc... 17403997
Unchecked Ki = 59.0 nM 7.23 Inhibition of HIV1 reverse transcriptase 41L/69S-SG/184V/210W/215Y mutant in pre... 17403997
Unchecked IC50 = 80.0 nM 7.1 Inhibition of HIV1 pNL4-3 reverse transcriptase 115F mutant by heteropolymeric D... 17403997
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 100.0 nM 7.0 Inhibition of HIV1 pNL4-3 reverse transcriptase wild type pNL4-3 by heteropolyme... 17403997
Unchecked IC50 = 110.0 nM 6.96 Inhibition of HIV1 reverse transcriptase 41L/69S-SG/210W/215Y mutant by heteropo... 17403997
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 110.0 nM 6.96 Inhibition of HIV1 LAI reverse transcriptase wild type LAI by heteropolymeric DN... 17403997
Unchecked IC50 = 110.0 nM 6.96 Inhibition of HIV1 reverse transcriptase wild type HXB2(a) by heteropolymeric DN... 17403997
Unchecked IC50 = 120.0 nM 6.92 Inhibition of HIV1 reverse transcriptase 41L/67N/70R/210W/215Y mutant by heterop... 17403997
Unchecked IC50 = 120.0 nM 6.92 Inhibition of HIV1 reverse transcriptase wild type HXB2(b) by heteropolymeric DN... 17403997
Unchecked IC50 = 130.0 nM 6.89 Inhibition of HIV1 LAI reverse transcriptase 41L/67N/70R/215Y/219Q mutant by het... 17403997
Unchecked IC50 = 160.0 nM 6.8 Inhibition of HIV1 reverse transcriptase 41L/67N/70R/184V/210W/215Y mutant by he... 17403997
Unchecked IC50 = 180.0 nM 6.75 Inhibition of HIV1 reverse transcriptase 184V mutant by heteropolymeric DNA poly... 17403997
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 190.0 nM 6.72 Inhibition of HIV1 LAI reverse transcriptase wild type in presence of 5 mM ATP b... 17403997
Unchecked IC50 = 200.0 nM 6.7 Inhibition of HIV1 pNL4-3 reverse transcriptase 115F mutant in presence of 5 mM ... 17403997
Unchecked IC50 = 220.0 nM 6.66 Inhibition of HIV1 reverse transcriptase 41L/69S-SG/184V/210W/215Y mutant by het... 17403997
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 300.0 nM 6.52 Inhibition of HIV1 pNL4-3 reverse transcriptase wild type pNL4-3 in presence of ... 17403997
Unchecked IC50 = 310.0 nM 6.51 Inhibition of HIV1 reverse transcriptase wild type HXB2(a) in presence of 5'-A12... 17403997

Literature References

PubMed DOI Target Context # Activities
17403997 10.1128/aac.00119-07 Unchecked 44
17403997 10.1128/aac.00119-07 Human immunodeficiency virus type 1 reverse transcriptase 4

Data from ChEMBL 36 via Core Engine